N-[(3S)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide

C21H27N3O2 — CID 31105115

IUPACN-[(3S)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCN(C2CCN(c3cccc(-c4ccco4)c3)CC2)C1
InChIInChI=1S/C21H27N3O2/c1-16(25)22-18-7-10-24(15-18)19-8-11-23(12-9-19)20-5-2-4-17(14-20)21-6-3-13-26-21/h2-6,13-14,18-19H,7-12,15H2,1H3,(H,22,25)/t18-/m0/s1
InChIKeyGHUVMDHAXTZYIP-SFHVURJKSA-N
MW353.47 g/mol
LogP3.13
Rot. Bonds4

About N-[(3S)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide

N-[(3S)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide (PubChem CID 31105115) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[(3S)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide
PubChem CID31105115
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[(3S)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCN(C2CCN(c3cccc(-c4ccco4)c3)CC2)C1
InChIInChI=1S/C21H27N3O2/c1-16(25)22-18-7-10-24(15-18)19-8-11-23(12-9-19)20-5-2-4-17(14-20)21-6-3-13-26-21/h2-6,13-14,18-19H,7-12,15H2,1H3,(H,22,25)/t18-/m0/s1
InChIKeyGHUVMDHAXTZYIP-SFHVURJKSA-N
XLogP3.13
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide (CID 31105115) is N-[(3S)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide is CC(=O)N[C@H]1CCN(C2CCN(c3cccc(-c4ccco4)c3)CC2)C1.
What is the InChIKey of N-[(3S)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide?
The InChIKey is GHUVMDHAXTZYIP-SFHVURJKSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16(25)22-18-7-10-24(15-18)19-8-11-23(12-9-19)20-5-2-4-17(14-20)21-6-3-13-26-21/h2-6,13-14,18-19H,7-12,15H2,1H3,(H,22,25)/t18-/m0/s1.
What are the key properties of N-[(3S)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide?
N-[(3S)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide has a molecular weight of 353.47 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 31105115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).